Sodium (6R,7R)-7-(R)-mandelamido-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate formate (ester)


Chemical Name: Sodium (6R,7R)-7-(R)-mandelamido-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate formate (ester)
CAS Number: 42540-40-9
Product Number: AG00I88D(AGN-PC-0WAF1P)
Synonyms:
MDL No:
Molecular Formula: C19H17N6NaO6S2
Molecular Weight: 512.4946

Identification/Properties


Computed Properties
Molecular Weight:
512.491g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
9
Exact Mass:
512.055g/mol
Monoisotopic Mass:
512.055g/mol
Topological Polar Surface Area:
210A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
844
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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